SCHEMBL6404756

SCHEMBL6404756

O=C(O)[C@](OCC1CCNCC1)(c1ccc(Br)cc1)[C@@H]1CCC(F)(F)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 18/20 0.49
CHRM1 P11229 18/20 0.49
CHRM3 P20309 18/20 0.49
KDM1A O60341 1/20 0.34
EP300 Q09472 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6398274 0.91 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL6404506 0.91 CHRM2 (0.48) CHRM2CHRM1CHRM3KDM1A
SCHEMBL6405805 0.91 CHRM2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL6399762 0.89 CHRM2 (0.47) CHRM2CHRM1CHRM3KDM1AEP300
SCHEMBL6400126 0.88 CHRM2 (0.46) CHRM2CHRM1CHRM3
SCHEMBL6401033 0.84 CHRM2 (0.47) CHRM2CHRM1CHRM3
SCHEMBL6404725 0.81 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL6404753 0.80 CHRM2 (0.56) CHRM2CHRM1CHRM3
SCHEMBL6404615 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM3
SCHEMBL6399176 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.